Differentiable Scaffolding Tree for Molecule Optimization.
Tianfan FuWenhao GaoCao XiaoJacob YasonikConnor W. ColeyJimeng SunPublished in: ICLR (2022)
Keyphrases
- optimization process
- objective function
- optimization algorithm
- optimization problems
- tree structure
- optimization method
- global optimization
- machine learning
- spanning tree
- successive approximation
- cognitive apprenticeship
- tree structures
- optimization model
- combinatorial optimization
- search space
- pairwise
- search algorithm
- learning environment
- bayesian networks